SCHEMBL25879091

SCHEMBL25879091

c1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccc6sc7ccccc7c6c5c4)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 5/20 0.36
▸ CCND1 P24385 5/20 0.36
▸ F9 P00740 3/20 0.35
▸ PIM3 Q86V86 2/20 0.35
▸ LIMK1 P53667 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ CCNE2 O96020 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ GPR3 P46089 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25879230 0.95 CDK4 (0.39) CDK4CCND1F9PIM3LIMK1
SCHEMBL25878770 0.95 CDK4 (0.39) CDK4CCND1F9PIM3LIMK1
SCHEMBL25882629 0.94 F9 (0.37) CDK4CCND1F9PIM3LIMK1
SCHEMBL25879088 0.94 F9 (0.36) CDK4CCND1F9CCNB2CCNE2
SCHEMBL25878930 0.94 CDK4 (0.40) CDK4CCND1F9PIM3LIMK1
SCHEMBL25879231 0.94 CDK4 (0.37) CDK4CCND1F9PIM3LIMK1
SCHEMBL25879092 0.93 CA12 (0.41) CDK4CCND1F9PIM3CCNB2
SCHEMBL25878772 0.93 CA12 (0.38) CDK4CCND1F9CA12CA1
SCHEMBL25879021 0.93 CDK4 (0.35) CDK4CCND1F9PIM3LIMK1
SCHEMBL25879017 0.93 CDK4 (0.38) CDK4CCND1F9PIM3LIMK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 — — WO disclosed
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